Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Isoquinolinesulfonamide,N-[2-(methylamino)ethyl]-, hydrochloride (1:2) |
EINECS | N/A |
CAS No. | 113276-94-1 | Density | N/A |
PSA | 79.47000 | LogP | 4.19910 |
Solubility | 25 mg/mL in ethanol | Melting Point |
221-222℃ (methanol water ) |
Formula | C12H17Cl2N3O2S | Boiling Point | 473.9 °C at 760 mmHg |
Molecular Weight | 265.336 | Flash Point | 240.4 °C |
Transport Information | N/A | Appearance | white to off-white crystalline solid |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-[2-(Methylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride;H-8 Dihydrochloride; |
Article Data | 2 |
The 5-Isoquinolinesulfonamide, N-[2-(methylamino)ethyl]-, hydrochloride (1:2), with the CAS registry number 113276-94-1, is also known as H-8 Dihydrochloride. This chemical's molecular formula is C12H17Cl2N3O2S and molecular weight is 338.25. What's more, its IUPAC name is N-[2-(Methylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride. In addition, it must be stored at 2-8°C. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
Physical properties about 5-Isoquinolinesulfonamide, N-[2-(methylamino)ethyl]-, hydrochloride (1:2) are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 61.89 Å2; (7)Flash Point: 240.4 °C; (8)Enthalpy of Vaporization: 73.71 kJ/mol; (9)Boiling Point: 473.9 °C at 760 mmHg; (10)Vapour Pressure: 3.79E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=S(=O)(c1cccc2c1ccnc2)NCCNC
(2) InChI: InChI=1/C12H15N3O2S.2ClH/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12;;/h2-6,9,13,15H,7-8H2,1H3;2*1H
(3) InChIKey: RJJLZYZEVNCZIW-UHFFFAOYAI